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CHEBI:198291 - Petromurin B

ChEBI IDCHEBI:198291
ChEBI NamePetromurin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32N2O4
Net Charge0
Average Mass496.607
Monoisotopic Mass496.23621
SMILESCOc1c(OC)c(-c2cnc3cc(CC=C(C)C)ccc23)c(OC)c(OC)c1-c1cnc2ccccc12
InChIInChI=1S/C31H32N2O4/c1-18(2)11-12-19-13-14-21-23(17-33-25(21)15-19)27-30(36-5)28(34-3)26(29(35-4)31(27)37-6)22-16-32-24-10-8-7-9-20(22)24/h7-11,13-17,32-33H,12H2,1-6H3
InChIKeyKOZJKWUVTWWEQP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus muricatus (ncbitaxon:469875) - DOI (10.1139/v97-075)
ChEBI Ontology
Outgoing Relation(s)
Petromurin B (CHEBI:198291) is a pyrroles (CHEBI:26455)
IUPAC Name 
3-[4-(1H-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-6-(3-methylbut-2-enyl)-1H-indole
Manual XrefsDatabases
78435567ChemSpider